Products for Research Use Only

ABT-100

CAT: 0013-GTR19206568-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206568-03Size:100 mg
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Description
ABT-100 is an orally bioavailable, potent, and selective farnesyltransferase inhibitor. It demonstrates broad-spectrum antitumor activity in preclinical models, showing efficacy in both in vitro assays and in vivo studies across various cancer types.
CAS Number
450839-40-4
Field of Research
Cell Biology, Metabolism Research
Smiles
Cn1cncc1[C@] (O) (COc1ccc (cc1-c1ccc (OC (F) (F) F) cc1) C#N) c1ccc (cc1) C#N
Molecular Formula
C27H19F3N4O3
Molecular Weight
504.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Abt-100

ABT-100 is an organic molecular entity. It has a role as an EC 2.5.1.58 (protein farnesyltransferase) inhibitor.

CAS Number450839-40-4
PubChem CID6451154
IUPAC Name4-[(2S)-2-(4-cyanophenyl)-2-hydroxy-2-(3-methylimidazol-4-yl)ethoxy]-3-[4-(trifluoromethoxy)phenyl]benzonitrile
Molecular FormulaC27H19F3N4O3
Molecular Weight504.5
XLogP4.6
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity854
SMILES
CN1C=NC=C1[C@](COC2=C(C=C(C=C2)C#N)C3=CC=C(C=C3)OC(F)(F)F)(C4=CC=C(C=C4)C#N)O
InChI
InChI=1S/C27H19F3N4O3/c1-34-17-33-15-25(34)26(35,21-7-2-18(13-31)3-8-21)16-36-24-11-4-19(14-32)12-23(24)20-5-9-22(10-6-20)37-27(28,29)30/h2-12,15,17,35H,16H2,1H3/t26-/m0/s1
InChIKey
HEUVRFNVTLGKMZ-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of Abt-100
CAS: 450839-40-4
CID: 6451154
Formula: C27H19F3N4O3
MW: 504.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight504.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass504.14092497
Monoisotopic Mass504.14092497
Topological Polar Surface Area104 Ų
Heavy Atom Count37
Formal Charge0
Complexity854
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes